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Evaluation of Eigenvalues by Successive Variations
Author(s) -
Lin Tzu Fang
Publication year - 1970
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.197000027
Subject(s) - chemistry , eigenvalues and eigenvectors , wave function , gaussian , atomic orbital , ground state , variation (astronomy) , ion , computational chemistry , atomic physics , statistical physics , quantum mechanics , physics , organic chemistry , astrophysics , electron
A successive variation method was studied and tested on the hydrogen molecular ion H 2 + . Results show that it takes less computational time than conventional method. It was also found that ground state wavefunction of H 2 + can be well approximated by the linear combination of the simplest Gaussian orbitals e −I(T‐a)3
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